(2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol

C8H10O2 — CID 10558683

IUPAC(2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol
SMILESO[C@@H]1C2=C(C=C[C@@H]1O)CC2
InChIInChI=1S/C8H10O2/c9-7-4-2-5-1-3-6(5)8(7)10/h2,4,7-10H,1,3H2/t7-,8+/m0/s1
InChIKeyATMZRMCFVFBJKP-JGVFFNPUSA-N
MW138.17 g/mol
LogP0.37
Rot. Bonds

About (2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol

(2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol (PubChem CID 10558683) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol
PubChem CID10558683
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol
SMILESO[C@@H]1C2=C(C=C[C@@H]1O)CC2
InChIInChI=1S/C8H10O2/c9-7-4-2-5-1-3-6(5)8(7)10/h2,4,7-10H,1,3H2/t7-,8+/m0/s1
InChIKeyATMZRMCFVFBJKP-JGVFFNPUSA-N
XLogP0.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol?
The IUPAC name of (2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol (CID 10558683) is (2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol.
What is the SMILES notation for (2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol?
The canonical SMILES for (2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol is O[C@@H]1C2=C(C=C[C@@H]1O)CC2.
What is the InChIKey of (2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol?
The InChIKey is ATMZRMCFVFBJKP-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H10O2/c9-7-4-2-5-1-3-6(5)8(7)10/h2,4,7-10H,1,3H2/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol?
(2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol has a molecular weight of 138.17 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol is sourced from PubChem (CID 10558683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).